CID 150913

Refchem:127900

Structural Information

Molecular Formula

C₈H₆Cl₃NO₂

SMILES

C1=C(C=C(N=C1Cl)Cl)C(=O)OCCCl

InChI

InChI=1S/C8H6Cl3NO2/c9-1-2-14-8(13)5-3-6(10)12-7(11)4-5/h3-4H,1-2H2

InChIKey

OAHOEVKBVUJZSP-UHFFFAOYSA-N

Compound name

2-chloroethyl 2,6-dichloropyridine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 6
References: 0
Patents: 252.94641 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	253.953686	143.8
[M+Na]+	275.935628	154.3
[M-H]-	251.939134	144.7
[M+NH4]+	270.980233	161.1
[M+K]+	291.909568	149.3
[M+H-H2O]+	235.943670	139.6
[M+HCOO]-	297.944611	151.8
[M+CH3COO]-	311.960261	190.5
[M+Na-2H]-	273.921076	147.8
[M]+	252.94586142	148.8
[M]-	252.94695858	148.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.